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Chemical ID: 5576008
Chemical ID:
5576008
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)-c3c2nc4ccccc4n3
InChi [?]:
InChI=1/C14H8N2/c1-2-6-10-9(5-1)13-14(10)16-12-8-4-3-7-11(12)15-13/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,13,12,6,3,14,11,5,4,15,10,7,8,16,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:16nCCCCCCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s4s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8N2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.08436 |
Area: | 370.338 |
Solvation: | -1.17408 |
Coulombic: | -13.8212 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 204.227 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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